Geometry & MOs

Info

ID:	142409
PubChem CID:	53029791
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	446.195405
ΔH_f, kcal/mol:	-73.32
Dipole, Da:	6.46
IP(EA), eV:	-9.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC3(CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)C)C)NC2=O

DOS

IR

Vibrations